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Chemical ID: 5838317
Chemical ID:
5838317
Name [?]:
N,2-diisobutyl-1,3-dioxo-isoindoline-5-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1ccc2c(c1)C(=O)N(C2=O)CC(C)C
InChi [?]:
InChI=1/C17H22N2O3/c1-10(2)8-18-15(20)12-5-6-13-14(7-12)17(22)19(16(13)21)9-11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,9,10,13,4,19,2,20,8,11,12,6,17,14,5,16,7,18,15/E:(1,2)(3,4)/rA:22nCCCCNCOCCCCCCCONCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;d14;s14;s11s16;d17;s16;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1232 |
Area: | 520.88 |
Solvation: | -2.89877 |
Coulombic: | -48.9815 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.7 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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